Danielsen, P. L. and Ball, R. C.. (1985) Interchain coupling in polyacetylene. Journal de Physique, Vol.46 (No.2). pp. 131-137. ISSN 0302-0738

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Abstract

The interchain coupling between two polyacetylene chains is considered, both in the absence of solitons, and with one neutral soliton on each chain. A new correction to the size and position of the band gap is found in the former case, and when solitons are present it is shown that their mid-gap levels interact. In this case the differences between the matched (same dimerization pattern at ± ∞) and the mismatched cases (opposite pattern at ± ∞) are clearly illustrated. The mid-gap level splitting is found to be ΔE = t> l/ξ sinh l/ξ, in the matched case, and ˜ 0(e-kfξ) in the mismatched case (where l is the soliton separation, kf the Fermi wavevector, ξ the soliton width, and [1] kf ξ ˜ 10). This interaction increases the strength of the 3 D pinning of solitons, there-fore strengthening the case against the solitonic model for conduction in polyacetylene. It also predicts the existence of a critical density ρc ˜ 0.05 of solitons, at which the preferred local ordering between chains switches from mismatched to matched dimerization.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Divisions:	Faculty of Science > Physics
Library of Congress Subject Headings (LCSH):	Polyacetylenes, Organic semiconductors, Solitons, Energy gap (Physics), Energy-band theory of solids
Journal or Publication Title:	Journal de Physique
Publisher:	Editions Physique
ISSN:	0302-0738
Date:	1985
Volume:	Vol.46
Number:	No.2
Page Range:	pp. 131-137
Identification Number:	10.1051/jphys:01985004602013100
Status:	Peer Reviewed
Publication Status:	Published
URI:	http://wrap.warwick.ac.uk/id/eprint/39387

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